3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde

C17H17FO3 — CID 83853943

IUPAC3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde
SMILESO=Cc1cccc(OCC(F)COCc2ccccc2)c1
InChIInChI=1S/C17H17FO3/c18-16(12-20-11-14-5-2-1-3-6-14)13-21-17-8-4-7-15(9-17)10-19/h1-10,16H,11-13H2
InChIKeyORHKFHSQFYUCDC-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.43
Rot. Bonds8

About 3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde

3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde (PubChem CID 83853943) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde.

Molecular Properties

Compound Name3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde
PubChem CID83853943
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde
SMILESO=Cc1cccc(OCC(F)COCc2ccccc2)c1
InChIInChI=1S/C17H17FO3/c18-16(12-20-11-14-5-2-1-3-6-14)13-21-17-8-4-7-15(9-17)10-19/h1-10,16H,11-13H2
InChIKeyORHKFHSQFYUCDC-UHFFFAOYSA-N
XLogP3.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3-(5-phenylmethoxypentoxy)benzaldehyde
CID 86637621
3-(fluoromethoxy)benzaldehyde
CID 22718686
3-(3,3-difluoropropoxy)benzaldehyde
CID 83854624
2,3-difluoropropoxymethylbenzene
CID 86233522
3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
CID 11484837
3-[[3-[[3-[[3-[(3-formylphenyl)methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11028483
3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
CID 138731649
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde
CID 166639003
3-(3-oxopropoxy)benzaldehyde
CID 63040628
3-(1,2,3-trifluoropropoxy)benzaldehyde
CID 21071549

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde?
The IUPAC name of 3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde (CID 83853943) is 3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde.
What is the SMILES notation for 3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde?
The canonical SMILES for 3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde is O=Cc1cccc(OCC(F)COCc2ccccc2)c1.
What is the InChIKey of 3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde?
The InChIKey is ORHKFHSQFYUCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c18-16(12-20-11-14-5-2-1-3-6-14)13-21-17-8-4-7-15(9-17)10-19/h1-10,16H,11-13H2.
What are the key properties of 3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde?
3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde has a molecular weight of 288.32 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde is sourced from PubChem (CID 83853943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).